| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 19th, 2008 | 13 | Yes |
Popular Name: 2-Cyanomethyl-5-trifluoromethylpyridine 2-Cyanomethyl-5-trifluoromethylp…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 939793-18-7 , 95727-86-9
(5-Trifluoromethyl-pyridin-2-yl)-acetonitrile
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.63 | 4.81 | -11.87 | 0 | 2 | 0 | 37 | 186.136 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.63 | 5.07 | -43.57 | 1 | 2 | 1 | 38 | 187.144 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.